| Identification | More | [Name]
Cycloheptanone | [CAS]
502-42-1 | [Synonyms]
CYCLOHEPTANOL
CYCLOHEPTANONE
HYDROXYCYCLOHEPTANE
OXOHEPTAMETHYLENE
SUBEROL
SUBERON
SUBERONE
SUBERYL ALCOHOL
Ketocycloheptane
Ketoheptamethylene
Cycloheptanon
Cycloheptanone, 97+%
forBencyclane,CycloheptanoneandHeptabarbial
Cycloheptanone,99% | [EINECS(EC#)]
207-937-6 | [Molecular Formula]
C7H12O | [MDL Number]
MFCD00004150 | [Molecular Weight]
112.17 | [MOL File]
502-42-1.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to yellow liquid | [Melting point ]
-21°C | [Boiling point ]
179 °C (lit.) | [density ]
0.951 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.477(lit.)
| [Fp ]
160 °F
| [storage temp. ]
Flammables area | [form ]
Liquid | [color ]
Clear colorless to yellow | [Specific Gravity]
0.951 (20℃) | [Water Solubility ]
INSOLUBLE | [Detection Methods]
GC | [Merck ]
14,2722 | [BRN ]
969823 | [Henry's Law Constant]
7.0×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008) | [InChI]
1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2 | [InChIKey]
CGZZMOTZOONQIA-UHFFFAOYSA-N | [SMILES]
O=C1CCCCCC1 | [CAS DataBase Reference]
502-42-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Cycloheptanone(502-42-1) | [EPA Substance Registry System]
502-42-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Warning | [Hazard statements ]
H226-H302 | [Precautionary statements ]
P210-P233-P240-P241-P242-P301+P312 | [Hazard Codes ]
Xi | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 1987 3/PG 3
| [WGK Germany ]
3
| [RTECS ]
GU3325000
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29142990 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Flam. Liq. 3 | [Hazardous Substances Data]
502-42-1(Hazardous Substances Data) |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to yellow liquid | [Uses]
Cycloheptanone is used as a precursor for the synthesis of pharmaceuticals. A spasmolytic agent and vasodilator is produced from this chemical. They are also used in certain stereospecific enzymatic reactions. | [Synthesis Reference(s)]
Canadian Journal of Chemistry, 47, p. 145, 1969 DOI: 10.1139/v69-016
Journal of the American Chemical Society, 98, p. 6717, 1976 DOI: 10.1021/ja00437a059 | [Synthesis]
Cycloheptanone is produced
by cyclization and decarboxylation of suberic
acid (1,8-octanedioic acid) or suberic acid esters
in the gas phase at 400 – 450℃ over alumina
doped with zinc oxide or cerium oxide. | [Purification Methods]
Shake suberone with aqueous KMnO4 to remove material absorbing around 230-240nm, then dry it with Linde type 13X molecular sieves and fractionally distil it through a glass helix packed column. [Blicke et al. J Am Chem Soc 74 2924 1952, Dauben et al. Org Synth Coll Vol IV 221, 229 1963, Beilstein 7 H 13, 7 I 9, 7 II 14, 7 III 46, 7 IV 39.] |
|
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|